Name: Name:1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-Methyl-1-[3-(trifluoroMethyl)phenyl]
Brand: Angene
SKU: AG00CL7L
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-Methyl-1-[3-(trifluoroMethyl)phenyl]

CAS No.:

376359-52-3

Catalog Number:

AG00CL7L

Molecular Formula:

C12H8ClF3N2O

Molecular Weight:

288.6529

Catalog Number:

AG00CL7L

Chemical Name:

1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-Methyl-1-[3-(trifluoroMethyl)phenyl]

CAS Number:

376359-52-3

Molecular Formula:

C12H8ClF3N2O

Molecular Weight:

288.6529

MDL Number:

MFCD02708756

IUPAC Name:

5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde

InChI:

InChI=1S/C12H8ClF3N2O/c1-7-10(6-19)11(13)18(17-7)9-4-2-3-8(5-9)12(14,15)16/h2-6H,1H3

InChI Key:

QVDGMJYLEVIDOK-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)nn(c1Cl)c1cccc(c1)C(F)(F)F

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.654g/mol

Monoisotopic Mass:

288.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6